Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3680169 | 0.87 | MAOA (0.45) | MAOAMAOBMEN1KMT2APTGS1 | |
| SCHEMBL10089370 | 0.84 | BCHE (0.44) | CYP3A4CYP2C9CYP2C19MAOAMAOB | |
| SCHEMBL10089369 | 0.83 | EGFR (0.39) | CYP3A4CYP2C9CYP2C19MAOAMAOB | |
| SCHEMBL13044875 | 0.83 | F2 (0.42) | MAOAMAOBPTGS1PTGS2KDM4E | |
| SCHEMBL17500079 | 0.82 | CYP1A2 (0.48) | MAOAMAOBPTGS1PTGS2KDM4E | |
| SCHEMBL2331853 | 0.81 | CYP2D6 (0.38) | CYP2C9CYP2C19MEN1KMT2ACYP1A2 | |
| SCHEMBL10014387 | 0.78 | PDCD1 (0.50) | PDCD1CD274PTGS1ALDH1A1 | |
| SCHEMBL12445306 | 0.77 | DHFR (0.35) | CYP3A4CYP2C9CYP2C19PDCD1CD274 | |
| SCHEMBL17500089 | 0.77 | SMN1; SMN2 (0.50) | CYP2C9CYP2C19MAOAMAOBPTGS1 | |
| SCHEMBL13508862 | 0.77 | HTR7 (0.38) | CYP3A4CYP2C9CYP2C19MAOAMAOB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1973655-A2 | POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME | DOW GLOBAL TECHNOLOGIES INC. (US) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007075299-A2 | POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME | DOW GLOBAL TECHNOLOGIES INC. (US) | 2007-07-05 | — | — | WO | disclosed |